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Home > Nitro Compounds > 500211-40-5
500211-40-5 | 2-(4-Ethoxy-phenyl)-5-(3-nitro-phenyl)-[1,3,4]oxadiazole
CAS No: 500211-40-5 Catalog No: AG01EW6Y MDL No:
Product Description
Catalog Number:
AG01EW6Y
Chemical Name:
2-(4-Ethoxy-phenyl)-5-(3-nitro-phenyl)-[1,3,4]oxadiazole
CAS Number:
500211-40-5
Molecular Formula:
C16H13N3O4
Molecular Weight:
311.2921
IUPAC Name:
2-(4-ethoxyphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C16H13N3O4/c1-2-22-14-8-6-11(7-9-14)15-17-18-16(23-15)12-4-3-5-13(10-12)19(20)21/h3-10H,2H2,1H3
InChI Key:
KYZDDOWEHKCHKT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1nnc(o1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.297g/mol
Monoisotopic Mass:
311.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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